CAS RN: 71466-11-0
Urea, N,N’-bis(3-hydroxypropyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS71466-11-0
- Purity/Analytical Methods: >99.0%
71466-11-0 / 1,3-bis(3-hydroxypropyl)urea
Basic Information
CAS
71466-11-0
Multi CAS
No
Molecular Formula
C7H16N2O3
Molecular Weight
176.210000
Exact Mass
176.116092
InChI
InChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12)
InChIKey
HUEPEXWUAVEESY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
44.81
TPSA
81.59
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.84
XLogP3
-1.3
Consensus LogP
-1.03
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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